CID 131558939

3-oxocyclobutane-1-sulfonyl chloride

Structural Information

Molecular Formula
C4H5ClO3S
SMILES
C1C(CC1=O)S(=O)(=O)Cl
InChI
InChI=1S/C4H5ClO3S/c5-9(7,8)4-1-3(6)2-4/h4H,1-2H2
InChIKey
IESMLAKNDITUGX-UHFFFAOYSA-N
Compound name
3-oxocyclobutane-1-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

167.9648 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.97208 118.8
[M+Na]+ 190.95402 127.0
[M-H]- 166.95752 122.9
[M+NH4]+ 185.99862 134.1
[M+K]+ 206.92796 127.3
[M+H-H2O]+ 150.96206 110.2
[M+HCOO]- 212.96300 131.5
[M+CH3COO]- 226.97865 175.3
[M+Na-2H]- 188.93947 123.3
[M]+ 167.96425 130.7
[M]- 167.96535 130.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe